methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate

C26H28N4O6 — CID 22956916

IUPACmethyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C26H28N4O6/c1-16-13-17(20-5-3-4-6-23(20)27-16)15-36-19-9-7-18(8-10-19)28-24(31)21-11-12-30(26(33)35-2)14-22(21)25(32)29-34/h3-10,13,21-22,34H,11-12,14-15H2,1-2H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1
InChIKeyRETDRIUBVHKDAA-VXKWHMMOSA-N
MW492.53 g/mol
LogP3.27
Rot. Bonds6

About methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate

methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 22956916) has the molecular formula C26H28N4O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID22956916
Molecular FormulaC26H28N4O6
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Namemethyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C26H28N4O6/c1-16-13-17(20-5-3-4-6-23(20)27-16)15-36-19-9-7-18(8-10-19)28-24(31)21-11-12-30(26(33)35-2)14-22(21)25(32)29-34/h3-10,13,21-22,34H,11-12,14-15H2,1-2H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1
InChIKeyRETDRIUBVHKDAA-VXKWHMMOSA-N
XLogP3.27
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate (CID 22956916) is methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CC[C@H](C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1.
What is the InChIKey of methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is RETDRIUBVHKDAA-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H28N4O6/c1-16-13-17(20-5-3-4-6-23(20)27-16)15-36-19-9-7-18(8-10-19)28-24(31)21-11-12-30(26(33)35-2)14-22(21)25(32)29-34/h3-10,13,21-22,34H,11-12,14-15H2,1-2H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1.
What are the key properties of methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 492.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 22956916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).